SCHEMBL29065669

SCHEMBL29065669

O=C(OCC/C=C\CBr)OCC/C=C\CBr

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29065671 0.84 ALDH1A1 (0.36) ALDH1A1TSHRFAAH
SCHEMBL17865564 0.79 NAAA (0.44) ALDH1A1TSHRFAAH
SCHEMBL17865566 0.79 NAAA (0.44) ALDH1A1TSHRFAAH
SCHEMBL6945280 0.76 ADORA3 (0.44) ALDH1A1TSHRFAAH
SCHEMBL6945278 0.76 ADORA3 (0.44) ALDH1A1TSHRFAAH
SCHEMBL6384273 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10947988 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10947979 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6648981 0.73 ALOX15 (0.34) ALDH1A1TSHRFAAH
SCHEMBL24587940 0.70 FAAH (0.56) ALDH1A1FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed